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33 Publications
2023 | Journal Article | IST-REx-ID: 12921 | 
In situ reaction monitoring in photocatalytic organic synthesis
A. Madani, B. Pieber, ChemCatChem 15 (2023).
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A. Madani, B. Pieber, ChemCatChem 15 (2023).
2023 | Journal Article | IST-REx-ID: 13251 |
Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites
Y. Wei, A. Volosniev, D. Lorenc, A.A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, The Journal of Physical Chemistry Letters 14 (2023) 6309–6314.
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Y. Wei, A. Volosniev, D. Lorenc, A.A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, The Journal of Physical Chemistry Letters 14 (2023) 6309–6314.
2023 | Journal Article | IST-REx-ID: 14321 |
Achiral dipoles on a ferromagnet can affect its magnetization direction
R. Al Hyder, A. Cappellaro, M. Lemeshko, A. Volosniev, The Journal of Chemical Physics 159 (2023).
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R. Al Hyder, A. Cappellaro, M. Lemeshko, A. Volosniev, The Journal of Chemical Physics 159 (2023).
2023 | Journal Article | IST-REx-ID: 14701
Towards practical metal–oxygen batteries: General discussion
Archer LA, Bruce PG, Calvo EJ, Dewar D, Ellison JHJ, Freunberger SA, Gao X, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Menkin S, Mondal S, Qiu Q, Samarakoon T, Temprano I, Uosaki K, Vailaya G, Wachsman ED, Wu Y, Ye S. 2023. Towards practical metal–oxygen batteries: General discussion. Faraday Discussions.
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Archer LA, Bruce PG, Calvo EJ, Dewar D, Ellison JHJ, Freunberger SA, Gao X, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Menkin S, Mondal S, Qiu Q, Samarakoon T, Temprano I, Uosaki K, Vailaya G, Wachsman ED, Wu Y, Ye S. 2023. Towards practical metal–oxygen batteries: General discussion. Faraday Discussions.
2023 | Journal Article | IST-REx-ID: 14702
Materials for stable metal–oxygen battery cathodes: general discussion
Attard GA, Calvo EJ, Curtiss LA, Dewar D, Ellison JHJ, Gao X, Grey CP, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Mondal S, Neale AR, Ortiz-Vitoriano N, Temprano I, Vailaya G, Wachsman ED, Wang H-H, Wu Y, Ye S. 2023. Materials for stable metal–oxygen battery cathodes: general discussion. Faraday Discussions.
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Attard GA, Calvo EJ, Curtiss LA, Dewar D, Ellison JHJ, Gao X, Grey CP, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Mondal S, Neale AR, Ortiz-Vitoriano N, Temprano I, Vailaya G, Wachsman ED, Wang H-H, Wu Y, Ye S. 2023. Materials for stable metal–oxygen battery cathodes: general discussion. Faraday Discussions.
2023 | Journal Article | IST-REx-ID: 14776 |
Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3
A. Teplova, A.A. Pigidanov, M.V. Serebryakova, S.A. Golyshev, R.A. Galiullina, N.V. Chichkova, A.B. Vartapetian, International Journal of Molecular Sciences 24 (2023).
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A. Teplova, A.A. Pigidanov, M.V. Serebryakova, S.A. Golyshev, R.A. Galiullina, N.V. Chichkova, A.B. Vartapetian, International Journal of Molecular Sciences 24 (2023).
2023 | Journal Article | IST-REx-ID: 14831 |
On kinetic constraints that catalysis imposes on elementary processes
Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, O. Rivoire, The Journal of Physical Chemistry B 127 (2023) 10950–10959.
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Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, O. Rivoire, The Journal of Physical Chemistry B 127 (2023) 10950–10959.
2023 | Journal Article | IST-REx-ID: 13044 |
Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes
S. Mondal, R.B. Jethwa, B. Pant, R. Hauschild, S.A. Freunberger, Faraday Discussions (2023).
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S. Mondal, R.B. Jethwa, B. Pant, R. Hauschild, S.A. Freunberger, Faraday Discussions (2023).
2022 | Journal Article | IST-REx-ID: 12938 |
From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems
J. Gamper, F. Kluibenschedl, A.K.H. Weiss, T.S. Hofer, Physical Chemistry Chemical Physics 24 (2022) 25191–25202.
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J. Gamper, F. Kluibenschedl, A.K.H. Weiss, T.S. Hofer, Physical Chemistry Chemical Physics 24 (2022) 25191–25202.
2022 | Journal Article | IST-REx-ID: 12249 |
Computing chemical potentials of solutions from structure factors
B. Cheng, The Journal of Chemical Physics 157 (2022).
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B. Cheng, The Journal of Chemical Physics 157 (2022).
2022 | Journal Article | IST-REx-ID: 11400 |
Controlling cluster size in 2D phase-separating binary mixtures with specific interactions
I. Palaia, A. Šarić, The Journal of Chemical Physics 156 (2022).
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I. Palaia, A. Šarić, The Journal of Chemical Physics 156 (2022).
2020 | Journal Article | IST-REx-ID: 12939 |
Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells
C.A. Karg, P. Wang, F. Kluibenschedl, T. Müller, L. Allmendinger, A.M. Vollmar, S. Moser, European Journal of Organic Chemistry 2020 (2020) 4499–4509.
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C.A. Karg, P. Wang, F. Kluibenschedl, T. Müller, L. Allmendinger, A.M. Vollmar, S. Moser, European Journal of Organic Chemistry 2020 (2020) 4499–4509.
2020 | Journal Article | IST-REx-ID: 8587 |
Intermolecular forces and correlations mediated by a phonon bath
X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, A. Deuchert, The Journal of Chemical Physics 152 (2020).
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X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, A. Deuchert, The Journal of Chemical Physics 152 (2020).
2019 | Journal Article | IST-REx-ID: 8412
Conformational dynamics in the core of human Y145Stop prion protein amyloid probed by relaxation dispersion NMR
M.D. Shannon, T. Theint, D. Mukhopadhyay, K. Surewicz, W.K. Surewicz, D. Marion, P. Schanda, C.P. Jaroniec, ChemPhysChem 20 (2019) 311–317.
[Submitted Version]
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M.D. Shannon, T. Theint, D. Mukhopadhyay, K. Surewicz, W.K. Surewicz, D. Marion, P. Schanda, C.P. Jaroniec, ChemPhysChem 20 (2019) 311–317.
2019 | Journal Article | IST-REx-ID: 8411
Microsecond protein dynamics from combined Bloch-McConnell and Near-Rotary-Resonance R1p relaxation-dispersion MAS NMR
D. Marion, D.F. Gauto, I. Ayala, K. Giandoreggio-Barranco, P. Schanda, ChemPhysChem 20 (2019) 276–284.
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D. Marion, D.F. Gauto, I. Ayala, K. Giandoreggio-Barranco, P. Schanda, ChemPhysChem 20 (2019) 276–284.
2018 | Journal Article | IST-REx-ID: 10361
Chemical kinetics for bridging molecular mechanisms and macroscopic measurements of amyloid fibril formation
T.C.T. Michaels, A. Šarić, J. Habchi, S. Chia, G. Meisl, M. Vendruscolo, C.M. Dobson, T.P.J. Knowles, Annual Review of Physical Chemistry 69 (2018) 273–298.
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T.C.T. Michaels, A. Šarić, J. Habchi, S. Chia, G. Meisl, M. Vendruscolo, C.M. Dobson, T.P.J. Knowles, Annual Review of Physical Chemistry 69 (2018) 273–298.
2017 | Journal Article | IST-REx-ID: 8446
Solid‐state NMR H–N–(C)–H and H–N–C–C 3D/4D correlation experiments for resonance assignment of large proteins
H. Fraga, C. Arnaud, D.F. Gauto, M. Audin, V. Kurauskas, P. Macek, C. Krichel, J. Guan, J. Boisbouvier, R. Sprangers, C. Breyton, P. Schanda, ChemPhysChem 18 (2017) 2697–2703.
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H. Fraga, C. Arnaud, D.F. Gauto, M. Audin, V. Kurauskas, P. Macek, C. Krichel, J. Guan, J. Boisbouvier, R. Sprangers, C. Breyton, P. Schanda, ChemPhysChem 18 (2017) 2697–2703.
2017 | Journal Article | IST-REx-ID: 13383
Irreversible bleaching of donor-acceptor stenhouse adducts on the surfaces of magnetite nanoparticles
J. Ahrens, T. Bian, T. Vexler, R. Klajn, ChemPhotoChem 1 (2017) 230–236.
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J. Ahrens, T. Bian, T. Vexler, R. Klajn, ChemPhotoChem 1 (2017) 230–236.
2017 | Journal Article | IST-REx-ID: 14006
Theory of attosecond delays in molecular photoionization
D.R. Baykusheva, H.J. Wörner, The Journal of Chemical Physics 146 (2017).
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D.R. Baykusheva, H.J. Wörner, The Journal of Chemical Physics 146 (2017).
2017 | Journal Article | IST-REx-ID: 15158 |
Animal cryptochromes: Divergent roles in light perception, circadian timekeeping and beyond
A.K. Michael, J.L. Fribourgh, R.N. Van Gelder, C.L. Partch, Photochemistry and Photobiology 93 (2017) 128–140.
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A.K. Michael, J.L. Fribourgh, R.N. Van Gelder, C.L. Partch, Photochemistry and Photobiology 93 (2017) 128–140.
2016 | Journal Article | IST-REx-ID: 10376 |
Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation
A. Šarić, T.C.T. Michaels, A. Zaccone, T.P.J. Knowles, D. Frenkel, The Journal of Chemical Physics 145 (2016).
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A. Šarić, T.C.T. Michaels, A. Zaccone, T.P.J. Knowles, D. Frenkel, The Journal of Chemical Physics 145 (2016).
2016 | Journal Article | IST-REx-ID: 10380 |
Non-equilibrium simulations of thermally induced electric fields in water
P. Wirnsberger, D. Fijan, A. Šarić, M. Neumann, C. Dellago, D. Frenkel, The Journal of Chemical Physics 144 (2016).
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P. Wirnsberger, D. Fijan, A. Šarić, M. Neumann, C. Dellago, D. Frenkel, The Journal of Chemical Physics 144 (2016).
2016 | Journal Article | IST-REx-ID: 8453
Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements
V. Kurauskas, E. Weber, A. Hessel, I. Ayala, D. Marion, P. Schanda, The Journal of Physical Chemistry B 120 (2016) 8905–8913.
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V. Kurauskas, E. Weber, A. Hessel, I. Ayala, D. Marion, P. Schanda, The Journal of Physical Chemistry B 120 (2016) 8905–8913.
2016 | Journal Article | IST-REx-ID: 13389
Reversible photoisomerization of spiropyran on the surfaces of Au25 nanoclusters
T. Udayabhaskararao, P.K. Kundu, J. Ahrens, R. Klajn, ChemPhysChem 17 (2016) 1805–1809.
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T. Udayabhaskararao, P.K. Kundu, J. Ahrens, R. Klajn, ChemPhysChem 17 (2016) 1805–1809.
2016 | Other Publication | IST-REx-ID: 13388 |
Inside cover: Reversible photoisomerization of spiropyran on the surfaces of Au25 nanoclusters (ChemPhysChem 12/2016)
T. Udayabhaskararao, P.K. Kundu, J. Ahrens, R. Klajn, Inside Cover: Reversible Photoisomerization of Spiropyran on the Surfaces of Au25 Nanoclusters (ChemPhysChem 12/2016), Wiley, 2016.
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T. Udayabhaskararao, P.K. Kundu, J. Ahrens, R. Klajn, Inside Cover: Reversible Photoisomerization of Spiropyran on the Surfaces of Au25 Nanoclusters (ChemPhysChem 12/2016), Wiley, 2016.
2015 | Journal Article | IST-REx-ID: 13397 |
Magnetic field-induced self-assembly of iron oxide nanocubes
G. Singh, H. Chan, T. Udayabhaskararao, E. Gelman, D. Peddis, A. Baskin, G. Leitus, P. Král, R. Klajn, Faraday Discussions 181 (2015) 403–421.
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G. Singh, H. Chan, T. Udayabhaskararao, E. Gelman, D. Peddis, A. Baskin, G. Leitus, P. Král, R. Klajn, Faraday Discussions 181 (2015) 403–421.
2015 | Journal Article | IST-REx-ID: 13398
Field-assisted self-assembly process: General discussion
Sun Y, Scarabelli L, Kotov N, Tebbe M, Lin X-M, Brullot W, Isa L, Schurtenberger P, Moehwald H, Fedin I, Velev O, Faivre D, Sorensen C, Perzynski R, Chanana M, Li Z, Bresme F, Král P, Firlar E, Schiffrin D, Souza Junior JB, Fery A, Shevchenko E, Tarhan O, Alivisatos AP, Disch S, Klajn R, Ghosh S. 2015. Field-assisted self-assembly process: General discussion. Faraday Discussions. 181, 463–479.
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Sun Y, Scarabelli L, Kotov N, Tebbe M, Lin X-M, Brullot W, Isa L, Schurtenberger P, Moehwald H, Fedin I, Velev O, Faivre D, Sorensen C, Perzynski R, Chanana M, Li Z, Bresme F, Král P, Firlar E, Schiffrin D, Souza Junior JB, Fery A, Shevchenko E, Tarhan O, Alivisatos AP, Disch S, Klajn R, Ghosh S. 2015. Field-assisted self-assembly process: General discussion. Faraday Discussions. 181, 463–479.
2014 | Journal Article | IST-REx-ID: 14018
The sensitivities of high-harmonic generation and strong-field ionization to coupled electronic and nuclear dynamics
D.R. Baykusheva, P.M. Kraus, S.B. Zhang, N. Rohringer, H.J. Wörner, Faraday Discussions 171 (2014) 113–132.
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D.R. Baykusheva, P.M. Kraus, S.B. Zhang, N. Rohringer, H.J. Wörner, Faraday Discussions 171 (2014) 113–132.
2014 | Journal Article | IST-REx-ID: 14019
The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra
K. Vasilatou, J.M. Michaud, D.R. Baykusheva, G. Grassi, F. Merkt, The Journal of Chemical Physics 141 (2014).
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K. Vasilatou, J.M. Michaud, D.R. Baykusheva, G. Grassi, F. Merkt, The Journal of Chemical Physics 141 (2014).
2011 | Journal Article | IST-REx-ID: 8470
A proton-detected 4D solid-state NMR experiment for protein structure determination
M. Huber, S. Hiller, P. Schanda, M. Ernst, A. Böckmann, R. Verel, B.H. Meier, ChemPhysChem 12 (2011) 915–918.
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M. Huber, S. Hiller, P. Schanda, M. Ernst, A. Böckmann, R. Verel, B.H. Meier, ChemPhysChem 12 (2011) 915–918.
2010 | Journal Article | IST-REx-ID: 10128
Quantum mechanical study of secondary structure formation in protected dipeptides
A. Šarić, T. Hrenar, M. Mališ, N. Došlić, Physical Chemistry Chemical Physics 12 (2010) 4678–4685.
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A. Šarić, T. Hrenar, M. Mališ, N. Došlić, Physical Chemistry Chemical Physics 12 (2010) 4678–4685.
2008 | Journal Article | IST-REx-ID: 10392
Density functional study of protonated formylmetallocenes
A. Šarić, V. Vrček, M. Bühl, Organometallics 27 (2008) 394–401.
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A. Šarić, V. Vrček, M. Bühl, Organometallics 27 (2008) 394–401.
2006 | Journal Article | IST-REx-ID: 13430
Principles and implementations of dissipative (dynamic) self-assembly
M. Fialkowski, K.J.M. Bishop, R. Klajn, S.K. Smoukov, C.J. Campbell, B.A. Grzybowski, The Journal of Physical Chemistry B 110 (2006) 2482–2496.
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M. Fialkowski, K.J.M. Bishop, R. Klajn, S.K. Smoukov, C.J. Campbell, B.A. Grzybowski, The Journal of Physical Chemistry B 110 (2006) 2482–2496.